5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole

C14H16N6O2 — CID 84595829

IUPAC5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccnn3C)n2)cc1OC
InChIInChI=1S/C14H16N6O2/c1-19-11(6-7-15-19)9-20-17-14(16-18-20)10-4-5-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3
InChIKeyGODLOWHEKLCDIA-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.14
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole

5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole (PubChem CID 84595829) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole
PubChem CID84595829
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccnn3C)n2)cc1OC
InChIInChI=1S/C14H16N6O2/c1-19-11(6-7-15-19)9-20-17-14(16-18-20)10-4-5-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3
InChIKeyGODLOWHEKLCDIA-UHFFFAOYSA-N
XLogP1.14
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole (CID 84595829) is 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole is COc1ccc(-c2nnn(Cc3ccnn3C)n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole?
The InChIKey is GODLOWHEKLCDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-19-11(6-7-15-19)9-20-17-14(16-18-20)10-4-5-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole?
5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole has a molecular weight of 300.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole is sourced from PubChem (CID 84595829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).